On Mon, Sep 09, 2019, Vishal Singh wrote:
>How can I minimization the energy of the system for Implicit solvent?
Set imin=1 in your mdin file. The minimizer doesn't care if the system
is implicit or explicit solvent.
>Is restrain of the solute atom is needed in minimization for Implicit
>solvent?
No.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 09 2019 - 06:00:07 PDT
